1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea

C18H19N3O2 — CID 108879472

IUPAC1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-3-14-6-10-17(11-7-14)23-13-20-18(22)21-16-8-4-15(12-19)5-9-16/h4-11H,2-3,13H2,1H3,(H2,20,21,22)
InChIKeyCQPCJPOBJCFPCQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.67
Rot. Bonds6

About 1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea

1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea (PubChem CID 108879472) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea
PubChem CID108879472
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-3-14-6-10-17(11-7-14)23-13-20-18(22)21-16-8-4-15(12-19)5-9-16/h4-11H,2-3,13H2,1H3,(H2,20,21,22)
InChIKeyCQPCJPOBJCFPCQ-UHFFFAOYSA-N
XLogP3.67
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879503
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879544
1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879448
1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea
CID 108879533
1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 60591596
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879684
4-(4-propylphenoxy)benzonitrile
CID 20986267
1-(4-chlorophenyl)-3-[2-(4-cyanophenyl)ethyl]urea
CID 155436717
4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide
CID 44723465
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
1-[2-(4-tert-butylphenoxy)ethyl]-3-(4-cyanophenyl)urea
CID 112972931

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea (CID 108879472) is 1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea is CCCc1ccc(OCNC(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea?
The InChIKey is CQPCJPOBJCFPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-3-14-6-10-17(11-7-14)23-13-20-18(22)21-16-8-4-15(12-19)5-9-16/h4-11H,2-3,13H2,1H3,(H2,20,21,22).
What are the key properties of 1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea?
1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea has a molecular weight of 309.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea is sourced from PubChem (CID 108879472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).